UCSF

ZINC69487702

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.19 2.34 -11.23 4 5 0 87 262.309 3
Hi High (pH 8-9.5) -0.19 6.5 -150.52 2 5 -2 92 260.293 3
Mid Mid (pH 6-8) -0.19 2.63 -44.52 5 5 1 88 263.317 3

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.